Analyte Name

(S)-Efavirenz-13C6

CAS Number

1261394-62-0

Molecular Formula

13C6 C8 H9 Cl F3 N O2

Molecular Weight

321.631

Accurate Mass

321.048

SMILES

FC(F)(F)[C@]1(OC(=O)N[13c]2[13cH][13cH][13c](Cl)[13cH][13c]12)C#CC3CC3

InChI

InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1/i3+1,4+1,7+1,9+1,10+1,11+1

IUPAC

(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Unlabelled CAS Number

154598-52-4

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat